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	hartrees
Energy at 0K	-192.306702
Energy at 298.15K	-192.308055
HF Energy	-191.545026
Nuclear repulsion energy	122.168783

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3192	3023	0.00
2	A₁	1984	1880	0.00
3	A₁	1468	1391	0.00
4	A₁	756	716	0.00
5	B₁	704	667	0.00
6	B₂	3191	3023	0.02
7	B₂	2281	2161	71.96
8	B₂	1544	1462	1.96
9	B₂	1343	1272	2.73
10	E	3278	3105	0.33
10	E	3278	3105	0.33
11	E	1033	978	0.02
11	E	1033	978	0.02
12	E	888	841	45.72
12	E	888	841	45.72
13	E	496	470	0.09
13	E	496	470	0.09
14	E	311	295	0.25
14	E	311	295	0.25
15	E	143	135	2.98
15	E	143	135	2.98

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.000
C2	0.000	0.000	1.277
C3	0.000	0.000	-1.277
C4	0.000	0.000	2.588
C5	0.000	0.000	-2.588
H6	0.000	0.927	3.149
H7	0.000	-0.927	3.149
H8	0.927	0.000	-3.149
H9	-0.927	0.000	-3.149

	C1	C2	C3	C4	C5	H6	H7	H8	H9
C1		1.2770	1.2770	2.5883	2.5883	3.2829	3.2829	3.2829	3.2829
C2	1.2770		2.5541	1.3112	3.8653	2.0893	2.0893	4.5224	4.5224
C3	1.2770	2.5541		3.8653	1.3112	4.5224	4.5224	2.0893	2.0893
C4	2.5883	1.3112	3.8653		5.1765	1.0838	1.0838	5.8119	5.8119
C5	2.5883	3.8653	1.3112	5.1765		5.8119	5.8119	1.0838	1.0838
H6	3.2829	2.0893	4.5224	1.0838	5.8119		1.8546	6.4335	6.4335
H7	3.2829	2.0893	4.5224	1.0838	5.8119	1.8546		6.4335	6.4335
H8	3.2829	4.5224	2.0893	5.8119	1.0838	6.4335	6.4335		1.8546
H9	3.2829	4.5224	2.0893	5.8119	1.0838	6.4335	6.4335	1.8546

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	180.000	C1	C3	C5	180.000
C2	C1	C3	180.000	C2	C4	H6	121.172
C2	C4	H7	121.172	C3	C5	H8	121.172
C3	C5	H9	121.172	H6	C4	H7	117.656
H8	C5	H9	117.656

All results from a given calculation for C₅H₄ (pentatetraene)

using model chemistry: CCD/6-31G(2df,p)

States and conformations

	Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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All results from a given calculation for C5H4 (pentatetraene)

using model chemistry: CCD/6-31G(2df,p)

States and conformations

All results from a given calculation for C₅H₄ (pentatetraene)